UCSF

ZINC36338547

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 Yes

Popular Name: 1-methyl-1-phenyl-3-[3-(4-pyridyl)-1H-indol-6-yl]urea 1-methyl-1-phenyl-3-[3-(4-pyridy…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.02 9.69 -15.74 2 5 0 61 342.402 3 ↓
Lo Low (pH 4.5-6) 4.02 10.17 -42.33 3 5 1 62 343.41 3 ↓
Lo Low (pH 4.5-6) 3.39 9.77 -50.46 2 5 1 59 343.41 3 ↓
Lo Low (pH 4.5-6) 3.39 9.78 -49.87 2 5 1 59 343.41 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMDH2-2-E Inosine-5'-monophosphate Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 84 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 84 0.38 Binding ≤ 1μM
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 84 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine ribonucleoside monophosphate biosynthesis

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.